Glycoside
GD012473
Name:
NoneFormula:
C28H38O15N4Smiles:
O=C1CCC(N2C(=O)c3ccc(NCCCNC(=O)C(O)C(O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(O)CO)cc3C2=O)C(=O)N1Aglycone:
[NH]CCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=OSugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -5.73 | Num_rotatable_bonds: | 14 |
| MolWt: | 670.63 | Num_heavy_atoms: | 47 |
| TPSA: | 304.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD09400
Formula: C16H17O4N4
Smiles:
[NH]CCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.34 | Num_heavy_atoms: | 24 |
| TPSA: | 119.38 | NumAromaticRings: | 1 |
